[1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H20ClNO3S/c1-15(22(26)24-14-13-16-7-3-2-4-8-16)27-20(25)12-11-19-21(23)17-9-5-6-10-18(17)28-19/h2-12,15H,13-14H2,1H3,(H,24,26)/b12-11+